KEYWORDS: Manganese, Fermium, Frequency modulation, Zinc oxide, Magnetism, Atomic force microscopy, Chemical species, Doping, Magnetic semiconductors, Technetium
A first-principles study has been performed to evaluate the electronic and magnetic properties of the Zn1-xMnxO1-yNy
system. Doping Mn atoms introduces local magnetic moments, while doping N atoms introduces carriers. It is worth
noting that intrinsic Mn-doped ZnO favors antiferromagnetic (AFM) ordering, and this cannot be changed by raising Mn
ions concentration continuously. However, by the codoping N and Mn, it is possible to change the ground state from
no-metallic AFM to half-metallic ferromagnetic (FM) and make ZnO as a dilute magnetic semiconductor. We have
succeeded in describing the change (from AFM to FM) by using the magnetic interaction that is hole-mediated FM due to
the hybridization between N 2p and Mn 3d states. Furthermore, the most stable configurations are found to be
-O-Mn-N-Mn-O-.Our results are in good agreement with other theoretical results that are additional holes carriers is one
of the possible mechanisms.
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